N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C20H19FN4O5 — CID 25107438

IUPACN-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)ccc1F
InChIInChI=1S/C20H19FN4O5/c1-12(26)22-14-5-4-6-15(10-14)25-20(28)24(19(27)18(23-25)30-3)11-13-7-8-16(21)17(9-13)29-2/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyFZEBNIFJUBGYTK-UHFFFAOYSA-N
MW414.39 g/mol
LogP1.56
Rot. Bonds6

About N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25107438) has the molecular formula C20H19FN4O5 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25107438
Molecular FormulaC20H19FN4O5
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)ccc1F
InChIInChI=1S/C20H19FN4O5/c1-12(26)22-14-5-4-6-15(10-14)25-20(28)24(19(27)18(23-25)30-3)11-13-7-8-16(21)17(9-13)29-2/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyFZEBNIFJUBGYTK-UHFFFAOYSA-N
XLogP1.56
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25107438) is N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is COc1cc(Cn2c(=O)c(OC)nn(-c3cccc(NC(C)=O)c3)c2=O)ccc1F.
What is the InChIKey of N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is FZEBNIFJUBGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O5/c1-12(26)22-14-5-4-6-15(10-14)25-20(28)24(19(27)18(23-25)30-3)11-13-7-8-16(21)17(9-13)29-2/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25107438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).